Glycoside
...
GD156782

Name:
10-{[3-({4-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-3,5-dihydroxy-6-methyloxan-2-yl}oxy)-4,5-dihydroxyoxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:
C64H104O30

Smiles:
CC1OC(OC2C(O)C(OC3C(O)C(C)OC(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C)CCC8(C(=O)O)CCC67C)C5(C)CO)OCC(O)C4O)C3O)OC(CO)C2OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)C(OC3C(O)C(C)OC(OC4C(O)OCC(O)C4O)C3O)OC(CO)C2OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 30 RingCount: 11
HBD: 17 FractionCSP3: 0.95
AlogP: -3.52 Num_rotatable_bonds: 16
MolWt: 1353.51 Num_heavy_atoms: 94
TPSA: 471.74 NumAromaticRings: 0

Unique Aglycone
AD00356
Formula: C30H48O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 6.21 Num_rotatable_bonds: 2
MolWt: 472.71 Num_heavy_atoms: 34
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD10501

CC1OC(OC2C(O)C(OC3C(O)C(C)OC(OC4C(O)OCC(O)C4O)C3O)OC(CO)C2OC2OC(CO)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O